#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngk n LYS 3 N 0.00 0.34 -2.12 -0.52 4.76 -1.26 -4.62 118.16 114.75 1ngk n LYS 3 Ca 0.00 0.10 -0.38 0.00 -2.87 0.00 0.00 58.31 55.16 1ngk n LYS 3 Cb 0.00 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1ngk n LYS 3 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ngk s SER 4 N -5.62 5.98 0.17 4.39 1.04 -1.26 -4.87 113.70 113.53 1ngk s SER 4 Ca -0.19 2.46 -0.18 0.00 0.48 0.00 0.00 55.95 58.53 1ngk s SER 4 Cb 0.06 -2.62 0.10 0.00 0.10 0.00 0.00 66.02 63.67 1ngk s SER 4 CO 0.31 -1.06 1.65 0.15 0.98 0.00 0.00 173.24 175.27 1ngk h PHE 5 N 2.01 -0.32 -0.75 5.02 3.57 -1.92 -0.70 116.94 123.85 1ngk h PHE 5 Ca -0.50 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.19 1ngk h PHE 5 Cb 1.26 0.20 -0.14 0.00 2.79 0.00 0.00 35.95 40.06 1ngk h PHE 5 CO 0.51 -0.22 -0.22 -0.92 -2.23 0.00 0.00 178.31 175.24 1ngk h TYR 6 N -0.05 -0.50 -0.36 0.41 3.20 -1.58 -1.20 116.97 116.90 1ngk h TYR 6 Ca 0.20 0.07 -0.08 0.00 3.14 0.00 0.00 58.73 62.06 1ngk h TYR 6 Cb 0.35 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1ngk h TYR 6 CO -0.39 -0.34 -0.11 -0.44 -1.64 0.00 0.00 178.16 175.24 1ngk h ASP 7 N -0.02 0.72 -0.47 -2.11 3.32 -1.66 0.43 116.42 116.62 1ngk h ASP 7 Ca 0.35 -0.37 0.06 0.00 0.02 0.00 0.00 57.03 57.08 1ngk h ASP 7 Cb 0.56 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1ngk h ASP 7 CO -0.78 0.93 0.32 0.00 -1.72 0.00 0.00 179.24 177.98 1ngk h ALA 8 N 0.81 1.93 -0.38 3.45 0.00 -0.03 -2.38 119.26 122.67 1ngk h ALA 8 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ngk h ALA 8 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ngk h ALA 8 CO 0.04 -0.01 0.00 1.33 0.00 0.00 0.00 179.25 180.61 1ngk n VAL 9 N -4.47 0.49 0.00 0.00 0.24 -0.62 -4.59 118.33 109.38 1ngk n VAL 9 Ca 0.06 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1ngk n VAL 9 Cb 0.25 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 1ngk n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngk n GLY 10 N 1.43 0.77 7.00 7.63 0.00 -0.90 -4.65 105.19 116.47 1ngk n GLY 10 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ngk n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngk n GLY 11 N -1.46 3.20 0.27 -0.02 0.00 0.15 -3.37 105.19 103.97 1ngk n GLY 11 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.80 1ngk n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngk h ALA 12 N -0.98 1.01 -0.09 4.61 0.00 -1.96 -2.14 119.26 119.71 1ngk h ALA 12 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ngk h ALA 12 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ngk h ALA 12 CO 0.00 -0.22 0.06 -0.22 0.00 0.00 0.00 179.25 178.87 1ngk h LYS 13 N 0.42 0.12 -0.43 0.00 3.64 -1.96 -0.89 116.57 117.47 1ngk h LYS 13 Ca 0.40 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1ngk h LYS 13 Cb 0.60 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1ngk h LYS 13 CO -0.40 0.09 0.26 1.15 -2.27 0.00 0.00 179.45 178.28 1ngk h THR 14 N 0.12 1.14 -0.29 1.00 2.02 -1.52 -0.86 112.91 114.50 1ngk h THR 14 Ca 0.03 -0.31 -0.16 0.00 0.77 0.00 0.00 66.41 66.75 1ngk h THR 14 Cb -0.01 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1ngk h THR 14 CO -0.01 0.14 -0.46 -0.26 0.37 0.00 0.00 175.52 175.30 1ngk h PHE 15 N 0.57 0.94 -0.40 3.16 0.04 -1.20 0.29 116.94 120.35 1ngk h PHE 15 Ca 0.16 -0.30 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 1ngk h PHE 15 Cb -0.01 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 1ngk h PHE 15 CO -0.03 1.08 0.22 0.22 -0.60 0.00 0.00 178.31 179.20 1ngk h ASP 16 N 0.62 0.50 -0.04 2.17 1.82 -1.10 -0.94 116.42 119.44 1ngk h ASP 16 Ca 0.04 -0.08 0.01 0.00 -0.39 0.00 0.00 57.03 56.60 1ngk h ASP 16 Cb 1.03 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 1ngk h ASP 16 CO 0.10 0.44 -0.01 0.00 -1.61 0.00 0.00 179.24 178.15 1ngk h ALA 17 N 1.08 0.03 0.37 -0.78 0.00 -0.95 0.16 119.26 119.17 1ngk h ALA 17 Ca 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ngk h ALA 17 Cb 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ngk h ALA 17 CO -0.02 -0.50 -0.26 0.82 0.00 0.00 0.00 179.25 179.29 1ngk h ILE 18 N -0.00 0.45 -0.02 0.00 2.04 -0.80 -1.47 117.51 117.70 1ngk h ILE 18 Ca 0.02 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.70 1ngk h ILE 18 Cb 0.04 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1ngk h ILE 18 CO -0.05 0.00 -0.79 0.58 0.00 0.00 0.00 178.15 177.89 1ngk h VAL 19 N -0.62 1.45 -0.07 1.67 2.07 -1.14 0.23 116.25 119.84 1ngk h VAL 19 Ca -0.03 -2.39 0.01 0.00 0.82 0.00 0.00 66.70 65.11 1ngk h VAL 19 Cb 0.53 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1ngk h VAL 19 CO 0.01 0.70 -0.01 -1.28 0.02 0.00 0.00 177.57 177.01 1ngk h SER 20 N 0.14 -0.05 -0.56 0.57 0.87 -0.67 0.16 113.55 114.01 1ngk h SER 20 Ca -0.03 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 1ngk h SER 20 Cb 1.37 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.35 1ngk h SER 20 CO 0.12 -0.02 0.05 -0.09 -0.53 0.00 0.00 176.83 176.37 1ngk h ARG 21 N 0.01 0.99 0.36 2.24 9.65 -0.94 -1.76 114.38 124.93 1ngk h ARG 21 Ca 0.03 -0.27 -0.00 0.00 -1.10 0.00 0.00 59.98 58.64 1ngk h ARG 21 Cb 0.05 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1ngk h ARG 21 CO -0.07 0.94 -0.34 0.35 2.80 0.00 0.00 179.97 183.65 1ngk h PHE 22 N 0.92 -0.92 0.00 2.20 3.57 -0.32 -3.13 116.94 119.26 1ngk h PHE 22 Ca 0.18 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1ngk h PHE 22 Cb 0.46 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1ngk h PHE 22 CO 0.03 -0.49 0.00 1.88 -2.23 0.00 0.00 178.31 177.50 1ngk h TYR 23 N -0.72 0.00 -0.60 0.41 0.05 -0.79 -1.97 116.97 113.35 1ngk h TYR 23 Ca -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 1ngk h TYR 23 Cb 0.65 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 1ngk h TYR 23 CO -0.19 0.00 0.14 0.00 -1.05 0.00 0.00 178.16 177.05 1ngk h ALA 24 N 2.08 1.12 0.03 3.88 0.00 -1.29 -3.07 119.26 122.01 1ngk h ALA 24 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ngk h ALA 24 Cb 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ngk h ALA 24 CO 0.00 0.59 -0.01 1.96 0.00 0.00 0.00 179.25 181.79 1ngk h GLN 25 N 0.89 -0.04 -0.91 0.00 4.20 -1.31 -3.21 115.11 114.73 1ngk h GLN 25 Ca 0.19 0.00 0.25 0.00 0.06 0.00 0.00 58.65 59.15 1ngk h GLN 25 Cb 0.33 0.01 -0.16 0.00 0.30 0.00 0.00 27.48 27.96 1ngk h GLN 25 CO 0.00 0.29 0.13 0.28 -0.67 0.00 0.00 178.83 178.86 1ngk h VAL 26 N -0.37 0.18 -1.00 -0.54 2.07 -1.46 0.11 116.25 115.23 1ngk h VAL 26 Ca -0.00 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.63 1ngk h VAL 26 Cb 0.35 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.10 1ngk h VAL 26 CO 0.01 0.02 0.62 0.00 0.02 0.00 0.00 177.57 178.24 1ngk h ALA 27 N 1.86 1.60 -0.19 1.67 0.00 -1.54 -1.74 119.26 120.93 1ngk h ALA 27 Ca 0.56 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1ngk h ALA 27 Cb 1.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ngk h ALA 27 CO -0.77 0.10 0.00 0.39 0.00 0.00 0.00 179.25 178.97 1ngk n GLU 28 N -4.67 1.92 -2.42 0.00 -0.58 0.19 -4.82 120.64 110.26 1ngk n GLU 28 Ca 0.21 -1.84 -0.43 0.00 -0.42 0.00 0.00 57.16 54.68 1ngk n GLU 28 Cb 0.45 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.91 1ngk n GLU 28 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ngk s ASP 29 N -1.37 6.89 0.26 1.62 2.15 -0.15 -4.93 116.67 121.14 1ngk s ASP 29 Ca 0.26 1.62 -0.03 0.00 0.43 0.00 0.00 52.55 54.84 1ngk s ASP 29 Cb 0.17 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.68 1ngk s ASP 29 CO 0.24 -0.82 1.83 -0.33 -0.17 0.00 0.00 175.17 175.92 1ngk h GLU 30 N 8.41 0.87 -0.03 4.34 3.07 -1.91 -0.22 114.58 129.11 1ngk h GLU 30 Ca -0.26 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.48 1ngk h GLU 30 Cb 1.10 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1ngk h GLU 30 CO 0.98 0.57 -0.23 0.28 -1.40 0.00 0.00 179.01 179.22 1ngk h VAL 31 N 0.90 1.48 0.00 3.13 2.07 -1.95 -3.37 116.25 118.51 1ngk h VAL 31 Ca 0.42 -1.75 -0.23 0.00 0.82 0.00 0.00 66.70 65.97 1ngk h VAL 31 Cb 0.36 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1ngk h VAL 31 CO -0.24 0.48 -0.95 -0.07 0.02 0.00 0.00 177.57 176.82 1ngk h LEU 32 N -0.37 0.55 -2.45 2.57 4.07 -1.80 -3.10 115.31 114.76 1ngk h LEU 32 Ca -0.02 -0.44 0.02 0.00 0.08 0.00 0.00 57.88 57.52 1ngk h LEU 32 Cb 0.91 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.48 1ngk h LEU 32 CO 0.05 1.24 0.08 0.08 -1.08 0.00 0.00 178.44 178.80 1ngk h ARG 33 N 0.24 0.00 0.00 1.13 0.11 -1.14 -0.22 114.38 114.50 1ngk h ARG 33 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1ngk h ARG 33 Cb 1.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.66 1ngk h ARG 33 CO 0.16 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.23 1ngk h ARG 34 N 0.00 0.00 0.00 0.08 3.08 -1.70 -3.37 114.38 112.47 1ngk h ARG 34 Ca 0.03 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.74 1ngk h ARG 34 Cb 0.19 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1ngk h ARG 34 CO -0.00 0.00 -2.26 0.28 -1.07 0.00 0.00 179.97 176.92 1ngk n VAL 35 N -2.95 1.26 -2.27 2.04 0.31 -0.15 -4.93 118.33 111.63 1ngk n VAL 35 Ca 0.04 -0.46 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 1ngk n VAL 35 Cb 0.48 -1.36 -0.03 0.00 -0.91 0.00 0.00 33.84 32.02 1ngk n VAL 35 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1ngk s TYR 36 N -2.44 3.32 -0.48 3.52 1.51 -0.83 -4.93 117.35 117.02 1ngk s TYR 36 Ca -0.30 1.19 -0.27 0.00 -1.01 0.00 0.00 57.07 56.68 1ngk s TYR 36 Cb 0.08 -3.56 -0.08 0.00 -0.11 0.00 0.00 41.96 38.29 1ngk s TYR 36 CO 0.49 -1.78 2.40 -2.30 -1.11 0.00 0.00 175.55 173.25 1ngk n PRO 37 N 3.28 1.11 0.20 -1.71 -0.02 -1.26 -4.80 135.00 131.79 1ngk n PRO 37 Ca 0.08 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1ngk n PRO 37 Cb 0.44 -3.17 0.01 0.00 -0.02 0.00 0.00 33.50 30.76 1ngk n PRO 37 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1ngk h GLU 38 N 17.67 0.00 -0.41 -0.52 4.11 -1.92 -0.95 114.58 132.56 1ngk h GLU 38 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1ngk h GLU 38 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ngk h GLU 38 CO 1.14 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.82 1ngk n ASP 39 N -1.91 3.09 -2.70 3.06 3.85 -1.26 -4.61 116.55 116.07 1ngk n ASP 39 Ca -0.00 -1.97 -0.06 0.00 -0.71 0.00 0.00 54.79 52.05 1ngk n ASP 39 Cb 0.79 -0.27 0.04 0.00 -1.35 0.00 0.00 41.12 40.33 1ngk n ASP 39 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1ngk n ASP 40 N 0.76 2.04 -0.12 -1.12 -0.08 -0.36 -4.88 116.55 112.79 1ngk n ASP 40 Ca 0.14 -2.43 -0.07 0.00 -1.51 0.00 0.00 54.79 50.92 1ngk n ASP 40 Cb 0.46 -0.47 0.09 0.00 2.34 0.00 0.00 41.12 43.53 1ngk n ASP 40 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1ngk h LEU 41 N 2.64 0.85 0.07 -2.67 3.38 -1.82 0.30 115.31 118.07 1ngk h LEU 41 Ca -0.06 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1ngk h LEU 41 Cb 1.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1ngk h LEU 41 CO 0.34 0.99 -0.18 0.00 0.09 0.00 0.00 178.44 179.67 1ngk h ALA 42 N 1.09 -0.29 -0.94 1.53 0.00 -1.97 -1.21 119.26 117.48 1ngk h ALA 42 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ngk h ALA 42 Cb 0.64 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1ngk h ALA 42 CO 0.04 -0.70 0.58 0.78 0.00 0.00 0.00 179.25 179.96 1ngk h GLY 43 N -0.34 1.35 0.98 0.00 0.00 -1.90 -1.75 103.07 101.42 1ngk h GLY 43 Ca 0.03 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1ngk h GLY 43 CO -0.12 0.53 0.23 0.00 0.00 0.00 0.00 176.54 177.18 1ngk h ALA 44 N 1.36 0.48 -0.15 3.60 0.00 -0.76 -1.54 119.26 122.25 1ngk h ALA 44 Ca 0.34 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ngk h ALA 44 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ngk h ALA 44 CO -0.07 -0.02 0.09 1.49 0.00 0.00 0.00 179.25 180.74 1ngk h GLU 45 N 0.50 0.21 -0.56 0.00 4.81 -0.94 -0.50 114.58 118.09 1ngk h GLU 45 Ca 0.14 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1ngk h GLU 45 Cb -0.00 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1ngk h GLU 45 CO -0.03 0.20 0.29 1.49 -0.73 0.00 0.00 179.01 180.24 1ngk h GLU 46 N 0.16 0.54 -0.22 1.92 4.81 -1.17 -1.31 114.58 119.30 1ngk h GLU 46 Ca 0.05 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1ngk h GLU 46 Cb 0.05 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1ngk h GLU 46 CO -0.01 0.36 -0.06 0.00 -0.73 0.00 0.00 179.01 178.56 1ngk h ARG 47 N 0.56 0.43 -0.68 1.92 3.08 -1.03 -1.10 114.38 117.56 1ngk h ARG 47 Ca 0.25 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1ngk h ARG 47 Cb 0.15 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1ngk h ARG 47 CO -0.17 0.68 0.44 1.25 -1.07 0.00 0.00 179.97 181.11 1ngk h LEU 48 N 0.16 0.75 0.07 3.04 5.85 -0.98 -1.68 115.31 122.52 1ngk h LEU 48 Ca 0.05 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1ngk h LEU 48 Cb 0.53 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1ngk h LEU 48 CO 0.02 0.53 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.53 1ngk h ARG 49 N 0.89 -0.10 -0.76 1.25 2.43 -1.07 -1.41 114.38 115.61 1ngk h ARG 49 Ca 0.26 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.50 1ngk h ARG 49 Cb -0.05 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 1ngk h ARG 49 CO -0.08 -0.03 0.44 0.52 -1.51 0.00 0.00 179.97 179.32 1ngk h MET 50 N -0.14 0.78 -0.02 0.20 2.86 -1.09 -0.35 114.93 117.17 1ngk h MET 50 Ca -0.01 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ngk h MET 50 Cb 0.11 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1ngk h MET 50 CO 0.02 0.52 0.01 0.35 1.06 0.00 0.00 176.91 178.86 1ngk h PHE 51 N 0.80 0.03 -0.38 -0.22 3.57 -0.99 -1.12 116.94 118.62 1ngk h PHE 51 Ca 0.34 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 1ngk h PHE 51 Cb 0.21 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1ngk h PHE 51 CO -0.06 0.10 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.93 1ngk h LEU 52 N -0.06 0.67 0.04 0.59 3.38 -0.95 0.23 115.31 119.21 1ngk h LEU 52 Ca 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ngk h LEU 52 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ngk h LEU 52 CO -0.00 0.82 -0.02 -0.33 0.09 0.00 0.00 178.44 179.00 1ngk h GLU 53 N 0.62 -0.05 -0.07 1.13 5.08 -0.88 -1.99 114.58 118.43 1ngk h GLU 53 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ngk h GLU 53 Cb 0.57 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1ngk h GLU 53 CO 0.04 -0.02 0.04 0.37 -1.00 0.00 0.00 179.01 178.43 1ngk h GLN 54 N -0.07 0.09 -0.99 2.33 4.15 -0.93 0.15 115.11 119.85 1ngk h GLN 54 Ca -0.01 -0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.63 1ngk h GLN 54 Cb 0.06 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 27.63 1ngk h GLN 54 CO 0.01 0.13 0.63 -0.92 -1.93 0.00 0.00 178.83 176.74 1ngk h TYR 55 N 0.03 0.82 -0.46 3.99 5.03 -0.34 0.63 116.97 126.66 1ngk h TYR 55 Ca 0.02 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1ngk h TYR 55 Cb 0.06 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.10 1ngk h TYR 55 CO -0.05 0.15 0.00 0.91 -1.32 0.00 0.00 178.16 177.85 1ngk n TRP 56 N -4.67 1.06 -0.25 -3.82 7.02 -0.76 -4.88 117.44 111.13 1ngk n TRP 56 Ca 0.23 -0.42 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1ngk n TRP 56 Cb 0.71 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1ngk n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ngk n GLY 57 N 0.90 0.87 0.00 6.99 0.00 0.21 -1.46 105.19 112.71 1ngk n GLY 57 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ngk n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngk n GLY 58 N -2.25 -0.03 3.53 -0.02 0.00 0.52 -4.84 105.19 102.09 1ngk n GLY 58 Ca 0.00 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 1ngk n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ngk n PRO 59 N 0.00 0.36 -0.59 1.61 -0.02 -1.26 -4.56 135.00 130.55 1ngk n PRO 59 Ca 0.00 0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.69 1ngk n PRO 59 Cb 0.00 -1.99 0.26 0.00 -0.02 0.00 0.00 33.50 31.75 1ngk n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ngk n ARG 60 N -1.23 3.52 -0.04 -0.52 1.74 -1.26 -3.55 116.66 115.32 1ngk n ARG 60 Ca 0.11 -2.04 0.08 0.00 -0.77 0.00 0.00 57.85 55.23 1ngk n ARG 60 Cb 0.50 -2.00 0.47 0.00 -1.02 0.00 0.00 32.46 30.41 1ngk n ARG 60 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1ngk h THR 61 N 2.57 0.99 0.21 0.55 2.02 -1.91 -1.63 112.91 115.71 1ngk h THR 61 Ca 0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1ngk h THR 61 Cb 1.47 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1ngk h THR 61 CO 0.32 0.09 -0.10 0.22 0.37 0.00 0.00 175.52 176.42 1ngk h TYR 62 N 0.47 -0.26 -0.11 3.16 3.20 -1.79 -1.61 116.97 120.02 1ngk h TYR 62 Ca 0.21 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 1ngk h TYR 62 Cb 0.25 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1ngk h TYR 62 CO -0.00 -0.14 -0.44 0.66 -1.64 0.00 0.00 178.16 176.60 1ngk h SER 63 N -0.31 0.29 -0.89 -2.11 4.64 -1.61 0.45 113.55 114.01 1ngk h SER 63 Ca -0.03 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 1ngk h SER 63 Cb 0.24 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 1ngk h SER 63 CO 0.05 0.70 0.48 -0.33 -0.87 0.00 0.00 176.83 176.85 1ngk h GLU 64 N 0.22 1.25 0.00 4.77 5.08 -1.20 0.68 114.58 125.38 1ngk h GLU 64 Ca 0.02 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 1ngk h GLU 64 Cb 0.87 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1ngk h GLU 64 CO 0.07 0.92 -1.78 1.04 -1.00 0.00 0.00 179.01 178.26 1ngk n GLN 65 N -4.33 0.65 -0.00 2.33 6.02 -0.62 -4.60 117.38 116.83 1ngk n GLN 65 Ca 0.09 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.10 1ngk n GLN 65 Cb 0.10 -1.64 -0.02 0.00 1.02 0.00 0.00 30.24 29.70 1ngk n GLN 65 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ngk n ARG 66 N -2.59 4.12 0.00 -1.09 5.12 0.16 -5.09 116.66 117.27 1ngk n ARG 66 Ca -0.11 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1ngk n ARG 66 Cb 0.77 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 31.29 1ngk n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ngk n GLY 67 N 1.47 -1.68 3.73 -0.13 0.00 0.23 -4.87 105.19 103.95 1ngk n GLY 67 Ca 0.00 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1ngk n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ngk s HIS 68 N 0.00 3.16 0.16 1.61 5.65 -1.26 -4.21 115.29 120.40 1ngk s HIS 68 Ca 0.00 0.96 -0.33 0.00 0.25 0.00 0.00 55.06 55.94 1ngk s HIS 68 Cb 0.00 -3.75 -0.13 0.00 -1.18 0.00 0.00 32.58 27.52 1ngk s HIS 68 CO 0.00 -2.55 1.63 -0.35 -0.65 0.00 0.00 174.74 172.82 1ngk n PRO 69 N 3.28 2.29 -3.12 2.88 -0.04 -1.26 -4.91 135.00 134.11 1ngk n PRO 69 Ca 0.10 0.83 -0.21 0.00 -0.04 0.00 0.00 63.50 64.17 1ngk n PRO 69 Cb 0.41 -2.62 -0.04 0.00 -0.04 0.00 0.00 33.50 31.22 1ngk n PRO 69 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ngk n ARG 70 N 3.73 1.63 -0.18 0.54 1.74 -1.26 -5.00 116.66 117.87 1ngk n ARG 70 Ca 0.17 -3.82 -0.04 0.00 -0.77 0.00 0.00 57.85 53.39 1ngk n ARG 70 Cb 0.30 -1.85 0.05 0.00 -1.02 0.00 0.00 32.46 29.95 1ngk n ARG 70 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ngk h LEU 71 N 3.07 0.44 -0.37 0.55 3.38 -1.98 0.52 115.31 120.92 1ngk h LEU 71 Ca 0.11 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.17 1ngk h LEU 71 Cb 0.83 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1ngk h LEU 71 CO 0.60 0.31 -0.05 -0.09 0.09 0.00 0.00 178.44 179.29 1ngk h ARG 72 N 0.57 0.04 -0.70 1.13 2.43 -1.96 -0.53 114.38 115.36 1ngk h ARG 72 Ca 0.23 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1ngk h ARG 72 Cb 0.10 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1ngk h ARG 72 CO -0.14 0.02 0.15 0.52 -1.51 0.00 0.00 179.97 179.02 1ngk h MET 73 N 0.04 1.14 0.00 0.20 2.86 -1.62 -1.10 114.93 116.45 1ngk h MET 73 Ca 0.18 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1ngk h MET 73 Cb 0.26 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1ngk h MET 73 CO -0.35 1.02 -0.29 0.00 1.06 0.00 0.00 176.91 178.35 1ngk h ARG 74 N 1.07 0.00 -0.00 1.72 2.47 -0.48 -2.21 114.38 116.95 1ngk h ARG 74 Ca 0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1ngk h ARG 74 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1ngk h ARG 74 CO 0.01 0.29 -0.51 0.72 0.56 0.00 0.00 179.97 181.03 1ngk n HIS 75 N -3.69 0.00 -0.24 3.04 8.25 -0.25 -4.46 115.22 117.87 1ngk n HIS 75 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 1ngk n HIS 75 Cb 0.40 -0.24 0.40 0.00 1.12 0.00 0.00 29.99 31.67 1ngk n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ngk h ALA 76 N 3.02 1.86 0.00 -1.41 0.00 -0.54 -0.52 119.26 121.67 1ngk h ALA 76 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ngk h ALA 76 Cb 0.50 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ngk h ALA 76 CO 0.00 -0.08 -0.03 -1.35 0.00 0.00 0.00 179.25 177.79 1ngk h PRO 77 N 0.65 0.00 -5.77 0.00 0.11 -1.78 -3.43 132.00 121.78 1ngk h PRO 77 Ca 0.41 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.86 1ngk h PRO 77 Cb 0.67 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.64 1ngk h PRO 77 CO -0.17 0.03 -0.60 -0.06 -0.21 0.00 0.00 178.00 176.99 1ngk s PHE 78 N -3.99 3.22 -0.68 0.65 0.40 -0.20 -5.05 117.98 112.31 1ngk s PHE 78 Ca -0.02 0.18 -0.27 0.00 -0.60 0.00 0.00 56.93 56.21 1ngk s PHE 78 Cb 0.12 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.80 1ngk s PHE 78 CO 0.50 0.42 1.35 1.03 0.70 0.00 0.00 175.22 179.22 1ngk s ARG 79 N -0.61 3.18 -0.56 0.44 0.52 -1.26 -4.90 118.95 115.75 1ngk s ARG 79 Ca 0.10 0.00 -0.08 0.00 -0.52 0.00 0.00 55.73 55.23 1ngk s ARG 79 Cb -0.12 -4.18 0.14 0.00 0.52 0.00 0.00 34.95 31.32 1ngk s ARG 79 CO 0.02 -2.13 0.43 0.42 0.02 0.00 0.00 175.30 174.06 1ngk s ILE 80 N 6.06 4.31 0.19 1.52 1.01 -1.26 -4.92 121.20 128.11 1ngk s ILE 80 Ca 0.42 -2.15 -0.00 0.00 0.00 0.00 0.00 60.65 58.91 1ngk s ILE 80 Cb -0.09 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.62 1ngk s ILE 80 CO 0.18 -0.84 0.26 -1.54 0.00 0.00 0.00 174.94 173.00 1ngk n SER 81 N 4.45 0.31 0.19 3.58 3.41 -1.26 -1.10 113.62 123.20 1ngk n SER 81 Ca -0.01 -1.27 0.05 0.00 -0.26 0.00 0.00 58.87 57.38 1ngk n SER 81 Cb 0.41 -0.17 0.50 0.00 -0.26 0.00 0.00 64.21 64.69 1ngk n SER 81 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1ngk h LEU 82 N 0.00 0.10 -0.36 1.04 -0.00 -1.91 -1.47 115.31 112.70 1ngk h LEU 82 Ca -0.08 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.74 1ngk h LEU 82 Cb 0.30 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1ngk h LEU 82 CO 0.09 0.21 0.07 0.40 -0.00 0.00 0.00 178.44 179.20 1ngk h ILE 83 N 0.10 1.23 -0.40 0.15 2.04 -1.96 0.17 117.51 118.84 1ngk h ILE 83 Ca 0.02 -0.82 -0.14 0.00 1.00 0.00 0.00 64.86 64.92 1ngk h ILE 83 Cb 0.23 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1ngk h ILE 83 CO 0.01 0.28 -0.29 -0.33 0.00 0.00 0.00 178.15 177.82 1ngk h GLU 84 N 0.44 0.90 -0.30 2.37 3.07 -1.83 -1.75 114.58 117.47 1ngk h GLU 84 Ca 0.11 -0.43 0.07 0.00 -0.50 0.00 0.00 59.36 58.60 1ngk h GLU 84 Cb 0.34 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.19 1ngk h GLU 84 CO 0.01 1.08 -0.12 -0.09 -1.40 0.00 0.00 179.01 178.49 1ngk h ARG 85 N 0.71 -0.07 -0.43 2.33 1.12 -1.15 -0.11 114.38 116.78 1ngk h ARG 85 Ca 0.08 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.85 1ngk h ARG 85 Cb 0.87 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.82 1ngk h ARG 85 CO 0.08 -0.04 -0.12 -0.44 -3.11 0.00 0.00 179.97 176.33 1ngk h ASP 86 N -0.07 0.77 -0.63 -3.80 3.32 -0.83 -1.46 116.42 113.72 1ngk h ASP 86 Ca 0.15 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1ngk h ASP 86 Cb 0.30 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1ngk h ASP 86 CO -0.35 0.92 0.14 0.00 -1.72 0.00 0.00 179.24 178.23 1ngk h ALA 87 N 1.16 0.83 -0.24 3.45 0.00 -1.03 -1.39 119.26 122.03 1ngk h ALA 87 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ngk h ALA 87 Cb 0.61 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ngk h ALA 87 CO 0.04 0.56 0.14 2.35 0.00 0.00 0.00 179.25 182.34 1ngk h TRP 88 N 0.93 0.33 -0.32 0.00 7.01 -0.71 -2.56 115.95 120.64 1ngk h TRP 88 Ca 0.20 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.13 1ngk h TRP 88 Cb 0.38 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 1ngk h TRP 88 CO 0.03 0.27 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.81 1ngk h LEU 89 N 0.29 0.49 0.07 0.65 3.38 -1.05 -1.44 115.31 117.70 1ngk h LEU 89 Ca 0.09 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ngk h LEU 89 Cb 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ngk h LEU 89 CO -0.01 0.62 -0.03 0.03 0.09 0.00 0.00 178.44 179.13 1ngk h ARG 90 N 0.49 -0.09 -0.87 1.13 3.08 -1.11 0.24 114.38 117.25 1ngk h ARG 90 Ca 0.10 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1ngk h ARG 90 Cb 0.43 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1ngk h ARG 90 CO 0.02 -0.01 0.46 0.00 -1.07 0.00 0.00 179.97 179.37 1ngk h MET 92 N 1.22 0.71 -0.87 0.00 1.85 -1.13 -1.04 114.93 115.67 1ngk h MET 92 Ca 0.31 -0.52 -0.00 0.00 -0.61 0.00 0.00 59.70 58.87 1ngk h MET 92 Cb 0.04 0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.12 1ngk h MET 92 CO -0.05 1.14 0.54 0.45 -0.40 0.00 0.00 176.91 178.60 1ngk h HIS 93 N 0.41 1.13 -0.14 1.39 -0.00 -0.36 0.77 115.15 118.35 1ngk h HIS 93 Ca -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1ngk h HIS 93 Cb 1.21 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 28.24 1ngk h HIS 93 CO 0.09 0.74 0.07 1.15 -0.00 0.00 0.00 177.93 179.98 1ngk h THR 94 N 1.19 1.11 -0.56 2.45 2.02 -0.97 -0.58 112.91 117.57 1ngk h THR 94 Ca 0.31 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ngk h THR 94 Cb -0.08 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1ngk h THR 94 CO -0.06 0.10 0.35 0.00 0.37 0.00 0.00 175.52 176.28 1ngk h ALA 95 N 0.95 0.72 -0.56 6.16 0.00 -0.79 -2.40 119.26 123.34 1ngk h ALA 95 Ca 0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1ngk h ALA 95 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ngk h ALA 95 CO -0.01 0.19 0.02 0.28 0.00 0.00 0.00 179.25 179.74 1ngk h VAL 96 N 0.76 1.26 0.00 0.00 2.07 -0.78 -2.21 116.25 117.35 1ngk h VAL 96 Ca 0.20 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1ngk h VAL 96 Cb -0.03 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1ngk h VAL 96 CO -0.04 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.93 1ngk h ALA 97 N 1.14 1.00 0.00 1.67 0.00 -0.80 -2.31 119.26 119.97 1ngk h ALA 97 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ngk h ALA 97 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ngk h ALA 97 CO 0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1ngk n SER 98 N -2.78 0.00 -4.74 0.00 3.41 -0.83 -4.75 113.62 103.94 1ngk n SER 98 Ca -0.01 0.22 -0.37 0.00 -0.26 0.00 0.00 58.87 58.46 1ngk n SER 98 Cb 0.17 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.66 1ngk n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ngk s ILE 99 N -2.80 5.26 0.67 -1.33 -1.09 -0.87 -5.09 121.20 115.96 1ngk s ILE 99 Ca 0.19 0.66 -0.13 0.00 -2.23 0.00 0.00 60.65 59.13 1ngk s ILE 99 Cb 0.18 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 1ngk s ILE 99 CO 0.45 0.39 1.08 1.51 -1.23 0.00 0.00 174.94 177.14 1ngk s ASP 100 N 0.36 5.23 0.59 3.58 3.84 -1.26 -4.80 116.67 124.20 1ngk s ASP 100 Ca 0.19 1.83 0.34 0.00 -0.00 0.00 0.00 52.55 54.91 1ngk s ASP 100 Cb -0.14 -2.53 1.85 0.00 -1.38 0.00 0.00 42.92 40.73 1ngk s ASP 100 CO 0.06 -1.55 2.21 0.77 -0.00 0.00 0.00 175.17 176.67 1ngk h SER 101 N -0.26 0.00 -0.22 2.11 4.64 -1.98 -0.38 113.55 117.47 1ngk h SER 101 Ca -0.45 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 1ngk h SER 101 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1ngk h SER 101 CO 0.55 0.04 -0.13 -0.08 -0.87 0.00 0.00 176.83 176.34 1ngk h GLU 102 N 0.00 0.47 0.05 4.77 4.81 -1.98 -3.20 114.58 119.49 1ngk h GLU 102 Ca -0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1ngk h GLU 102 Cb 0.14 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1ngk h GLU 102 CO 0.00 0.77 -0.02 1.15 -0.73 0.00 0.00 179.01 180.18 1ngk h THR 103 N 0.17 1.29 -3.51 0.32 2.02 -1.81 -3.41 112.91 107.97 1ngk h THR 103 Ca 0.04 -1.27 -0.68 0.00 0.77 0.00 0.00 66.41 65.27 1ngk h THR 103 Cb 0.64 2.11 -0.36 0.00 -1.74 0.00 0.00 68.15 68.80 1ngk h THR 103 CO 0.04 0.31 -0.48 -0.22 0.37 0.00 0.00 175.52 175.53 1ngk s LEU 104 N -9.06 5.05 0.36 2.58 0.20 -0.19 -4.52 118.68 113.09 1ngk s LEU 104 Ca -0.16 -2.62 -0.16 0.00 0.69 0.00 0.00 54.13 51.88 1ngk s LEU 104 Cb 0.01 -1.79 -0.13 0.00 -0.43 0.00 0.00 46.19 43.85 1ngk s LEU 104 CO 0.63 -0.39 0.00 0.47 -0.29 0.00 0.00 176.35 176.77 1ngk n ASP 105 N 3.76 -2.61 -0.08 3.68 8.00 -1.21 -4.28 116.55 123.81 1ngk n ASP 105 Ca 0.04 0.61 -0.07 0.00 0.71 0.00 0.00 54.79 56.09 1ngk n ASP 105 Cb 0.38 -0.71 -0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1ngk n ASP 105 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ngk h ASP 106 N 0.16 -0.21 -0.25 -2.24 5.19 -1.98 0.70 116.42 117.78 1ngk h ASP 106 Ca -0.32 0.08 0.05 0.00 -0.62 0.00 0.00 57.03 56.22 1ngk h ASP 106 Cb 1.19 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.81 1ngk h ASP 106 CO 0.37 -0.07 -0.03 -0.08 -3.12 0.00 0.00 179.24 176.31 1ngk h GLU 107 N 0.04 0.04 -0.10 3.56 4.81 -1.99 -0.15 114.58 120.79 1ngk h GLU 107 Ca 0.14 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.18 1ngk h GLU 107 Cb 0.21 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1ngk h GLU 107 CO -0.28 0.03 -0.74 0.45 -0.73 0.00 0.00 179.01 177.74 1ngk h HIS 108 N 0.04 0.69 -0.16 0.92 3.86 -1.81 -2.44 115.15 116.25 1ngk h HIS 108 Ca 0.12 -0.30 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1ngk h HIS 108 Cb 0.17 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1ngk h HIS 108 CO -0.22 1.08 0.10 -0.09 0.86 0.00 0.00 177.93 179.66 1ngk h ARG 109 N 0.35 0.20 -0.31 2.45 2.43 0.53 -0.15 114.38 119.89 1ngk h ARG 109 Ca -0.04 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1ngk h ARG 109 Cb 1.33 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.80 1ngk h ARG 109 CO 0.13 0.13 0.13 0.00 -1.51 0.00 0.00 179.97 178.85 1ngk h ARG 110 N 0.21 0.27 0.02 0.20 3.08 -0.99 -0.75 114.38 116.41 1ngk h ARG 110 Ca 0.06 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1ngk h ARG 110 Cb -0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1ngk h ARG 110 CO -0.02 0.18 -0.05 1.49 -1.07 0.00 0.00 179.97 180.50 1ngk h GLU 111 N 0.27 -0.09 -0.32 0.04 4.81 -1.25 -0.24 114.58 117.79 1ngk h GLU 111 Ca 0.13 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1ngk h GLU 111 Cb 0.08 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1ngk h GLU 111 CO -0.12 -0.06 0.16 1.25 -0.73 0.00 0.00 179.01 179.51 1ngk h LEU 112 N -0.10 0.23 -0.47 1.64 5.85 -0.84 -2.08 115.31 119.55 1ngk h LEU 112 Ca 0.02 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1ngk h LEU 112 Cb 0.12 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1ngk h LEU 112 CO -0.04 0.18 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.16 1ngk h LEU 113 N 0.33 0.82 -0.69 2.25 4.07 -1.01 -1.28 115.31 119.80 1ngk h LEU 113 Ca 0.14 -0.31 0.06 0.00 0.08 0.00 0.00 57.88 57.85 1ngk h LEU 113 Cb 0.05 -0.22 -0.06 0.00 1.08 0.00 0.00 40.66 41.51 1ngk h LEU 113 CO -0.10 0.93 0.39 0.44 -1.08 0.00 0.00 178.44 179.02 1ngk h ASP 114 N 0.69 0.58 0.25 -0.43 3.45 -0.87 -1.15 116.42 118.94 1ngk h ASP 114 Ca 0.13 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 1ngk h ASP 114 Cb 0.51 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 1ngk h ASP 114 CO 0.02 0.37 -0.12 0.22 -1.57 0.00 0.00 179.24 178.17 1ngk h TYR 115 N 0.71 -0.31 -0.83 4.55 5.03 -1.15 -2.25 116.97 122.73 1ngk h TYR 115 Ca 0.31 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.67 1ngk h TYR 115 Cb 0.19 0.10 -0.06 0.00 1.55 0.00 0.00 36.73 38.51 1ngk h TYR 115 CO -0.07 -0.10 0.50 -0.07 -1.32 0.00 0.00 178.16 177.10 1ngk h LEU 116 N -0.47 0.78 -0.10 2.82 3.38 -0.98 0.29 115.31 121.03 1ngk h LEU 116 Ca -0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ngk h LEU 116 Cb 0.35 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ngk h LEU 116 CO 0.06 0.49 0.05 -0.33 0.09 0.00 0.00 178.44 178.80 1ngk h GLU 117 N 0.91 0.14 -0.27 1.13 5.08 -1.21 -0.78 114.58 119.57 1ngk h GLU 117 Ca 0.37 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1ngk h GLU 117 Cb 0.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1ngk h GLU 117 CO -0.18 0.18 0.13 1.98 -1.00 0.00 0.00 179.01 180.12 1ngk h MET 118 N 0.06 0.39 -0.37 2.33 1.85 -0.75 -1.86 114.93 116.58 1ngk h MET 118 Ca 0.03 -0.05 0.02 0.00 -0.61 0.00 0.00 59.70 59.09 1ngk h MET 118 Cb 0.08 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.02 1ngk h MET 118 CO -0.01 0.37 0.20 0.00 -0.40 0.00 0.00 176.91 177.08 1ngk h ALA 119 N 1.00 0.46 -0.29 0.39 0.00 -0.37 -1.95 119.26 118.50 1ngk h ALA 119 Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ngk h ALA 119 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ngk h ALA 119 CO -0.01 -0.15 0.10 0.00 0.00 0.00 0.00 179.25 179.19 1ngk h ALA 120 N 1.17 0.38 -0.83 0.00 0.00 -1.04 -2.41 119.26 116.52 1ngk h ALA 120 Ca 0.15 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1ngk h ALA 120 Cb 0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1ngk h ALA 120 CO -0.08 -0.00 0.48 0.45 0.00 0.00 0.00 179.25 180.09 1ngk h HIS 121 N 0.31 0.86 0.00 0.00 3.86 -1.24 -2.10 115.15 116.84 1ngk h HIS 121 Ca 0.09 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1ngk h HIS 121 Cb 0.22 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1ngk h HIS 121 CO 0.00 0.35 0.00 0.43 0.86 0.00 0.00 177.93 179.57 1ngk n SER 122 N -4.74 0.10 -0.87 2.45 7.64 -0.74 -2.76 113.62 114.70 1ngk n SER 122 Ca 0.14 0.52 0.11 0.00 1.01 0.00 0.00 58.87 60.64 1ngk n SER 122 Cb 0.28 -0.54 0.09 0.00 -1.01 0.00 0.00 64.21 63.03 1ngk n SER 122 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ngk n LEU 123 N -1.60 2.80 -4.71 -3.43 4.77 -0.80 -4.91 117.00 109.12 1ngk n LEU 123 Ca 0.05 -1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 54.61 1ngk n LEU 123 Cb 0.24 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1ngk n LEU 123 CO 0.19 0.48 1.39 0.52 -1.33 0.00 0.00 177.39 178.63 1ngk n VAL 124 N 1.21 0.05 -1.20 4.08 0.31 -1.11 -4.84 118.33 116.82 1ngk n VAL 124 Ca 0.13 -0.01 0.01 0.00 -0.01 0.00 0.00 64.34 64.45 1ngk n VAL 124 Cb 0.54 -2.00 0.01 0.00 -0.91 0.00 0.00 33.84 31.48 1ngk n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ngk n ASN 125 N 4.19 0.33 -3.79 4.52 0.23 -0.26 -5.04 115.26 115.44 1ngk n ASN 125 Ca 0.16 -1.52 -0.13 0.00 -0.53 0.00 0.00 54.58 52.57 1ngk n ASN 125 Cb 0.35 -0.08 -0.11 0.00 -2.08 0.00 0.00 39.78 37.86 1ngk n ASN 125 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ngk s SER 126 N -0.56 -0.21 0.40 0.53 0.15 -0.97 -4.78 113.70 108.25 1ngk s SER 126 Ca 0.02 0.34 0.22 0.00 0.70 0.00 0.00 55.95 57.22 1ngk s SER 126 Cb 0.02 0.45 0.50 0.00 -1.71 0.00 0.00 66.02 65.28 1ngk s SER 126 CO 0.00 -0.20 1.65 -0.65 1.20 0.00 0.00 173.24 175.24 1ngk h PRO 127 N 5.15 0.00 0.00 5.44 0.11 -1.99 -3.36 132.00 137.35 1ngk h PRO 127 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ngk h PRO 127 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ngk h PRO 127 CO 0.36 0.24 0.00 1.97 -0.21 0.00 0.00 178.00 180.36